1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol

C14H19N3O3 — CID 60898605

IUPAC1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESCOc1ccc(NCC(O)Cn2cccn2)c(OC)c1
InChIInChI=1S/C14H19N3O3/c1-19-12-4-5-13(14(8-12)20-2)15-9-11(18)10-17-7-3-6-16-17/h3-8,11,15,18H,9-10H2,1-2H3
InChIKeyDESYHTMYRUJHSZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.37
Rot. Bonds7

About 1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol

1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60898605) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID60898605
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
SMILESCOc1ccc(NCC(O)Cn2cccn2)c(OC)c1
InChIInChI=1S/C14H19N3O3/c1-19-12-4-5-13(14(8-12)20-2)15-9-11(18)10-17-7-3-6-16-17/h3-8,11,15,18H,9-10H2,1-2H3
InChIKeyDESYHTMYRUJHSZ-UHFFFAOYSA-N
XLogP1.37
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898666
1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60898032
1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81371484
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534
1-(2-chloro-4-fluoroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60899299
N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18141970
(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 93046419
1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 62329267
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029275
1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 107633847
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95129996
2,4-dimethoxy-N-(2-methylidenebutyl)aniline
CID 66044244

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol (CID 60898605) is 1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol is COc1ccc(NCC(O)Cn2cccn2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is DESYHTMYRUJHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-12-4-5-13(14(8-12)20-2)15-9-11(18)10-17-7-3-6-16-17/h3-8,11,15,18H,9-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol?
1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 277.32 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60898605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).